Geometry & MOs

Info

ID:	401138
PubChem CID:	135050282
Reduced:	NO3C16H31 (1)
Stoich.:	AB3C16D31 (1)
Weight, g/mol:	442.184537
ΔH_f, kcal/mol:	-179.4
Dipole, Da:	2.77
IP(EA), eV:	-9.47(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[1-(benzenesulfonyl)-3,3,3-trimethoxypropyl]cyclohexen-1-yl]oxy-trimethylsilane

Drug info:

PubChemData

Smile

CCCC[C@H]([C@@H](C)/C=C\OC(=O)N(C(C)C)C(C)C)O

DOS

IR

Vibrations